N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide
TL;DR: N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide (CAS 93009-81-5) is a chemical compound with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide
Also Known As: N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide, N-[9-Acetyl-6-(benzylsulfanyl)-9H-purin-2-yl]ethanimidic acid, N-[9-ACETYL-6-(BENZYLSULFANYL)-9H-PURIN-2-YL]ACETAMIDE
| Molecular Formula | C16H15N5O2S |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.09464 |
| Heavy Atoms | 24 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 93009-81-5 |
|---|---|
| SMILES | CC(=O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C(=O)C |
| InChIKey | NSMQOVIQCRKCFK-UHFFFAOYSA-N |
Product Overview
N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide (CAS 93009-81-5), with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol. IUPAC: N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide.
Chemical Property Profile of N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide
Property Insights of N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide. Following Lipinski's Rule of Five, N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide?
The CAS number of N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide is 93009-81-5.
What is the molecular formula of N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide?
The molecular formula of N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide is C16H15N5O2S.
What is the molecular weight of N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide?
The molecular weight of N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide is 341.09 g/mol.
Where can I buy N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide?
You can request a quote for N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.